(2,3-dimethoxy-4-propoxy-5-pyrimidin-2-ylsulfinyl-naphthalen-1-yl) ethanoate

Systemtic Name: (2,3-dimethoxy-4-propoxy-5-pyrimidin-2-ylsulfinyl-naphthalen-1-yl) ethanoate Openeye Name: (2,3-dimethoxy-4-propoxy-5-pyrimidin-2-ylsulfinyl-1-naphthyl) acetate CAS Name: acetic acid [2,3-dimethoxy-4-propoxy-5-(2-pyrimidinylsulfinyl)-1-naphthalenyl] ester IUPAC Name: (2,3-dimethoxy-4-propoxy-5-pyrimidin-2-ylsulfinylnaphthalen-1-yl) acetate Traditional Name: acetic acid [2,3-dimethoxy-4-propoxy-5-(2-pyrimidylsulfinyl)-1-naphthyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=C(C2=C1C(=CC=C2)S(=O)C3=NC=CC=N3)OC(=O)C)OC)OC

Isomeric SMILES

CCCOC1=C(C(=C(C2=C1C(=CC=C2)S(=O)C3=NC=CC=N3)OC(=O)C)OC)OC

InChI

InChI=1S/C21H22N2O6S/c1-5-12-28-18-16-14(17(29-13(2)24)19(26-3)20(18)27-4)8-6-9-15(16)30(25)21-22-10-7-11-23-21/h6-11H,5,12H2,1-4H3